3-[4-[3-(4-chloranyl-2-methoxy-phenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[3-(4-chloranyl-2-methoxy-phenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(4-chloro-2-methoxy-phenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(4-chloro-2-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(4-chloro-2-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(4-chloro-2-methoxy-phenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H24ClN3O2S/c1-26-19-15-16(22)7-8-18(19)27-14-4-9-24-10-12-25(13-11-24)21-17-5-2-3-6-20(17)28-23-21/h2-3,5-8,15H,4,9-14H2,1H3/p+1